Cas no 10535-00-9 (6H-Purin-6-one,1,9-dihydro-2-methyl-8-(methylthio)-)
10535-00-9 structure
Product Name:6H-Purin-6-one,1,9-dihydro-2-methyl-8-(methylthio)-
CAS No:10535-00-9
MF:C7H8N4OS
MW:196.229619026184
CID:172160
PubChem ID:135421915
Update Time:2025-04-19
6H-Purin-6-one,1,9-dihydro-2-methyl-8-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1,9-dihydro-2-methyl-8-(methylthio)-
- 2-methyl-8-methylsulfanyl-3,7-dihydropurin-6-one
- 2-methyl-8-(methylsulfanyl)-3,7-dihydro-6H-purin-6-one
- 2-Methyl-8-methylmercapto-1,7-dihydro-purin-6-on
- 2-methyl-8-methylsulfanyl-1,7-dihydro-purin-6-one
- AC1MV8N6
- NSC34514
- NSC-34514
- 10535-00-9
- DTXSID40395280
-
- Inchi： 1S/C7H8N4OS/c1-3-8-5-4(6(12)9-3)10-7(11-5)13-2/h1-2H3,(H2,8,9,10,11,12)
- InChI Key： UQYCVTIBLQVXSY-UHFFFAOYSA-N
- SMILES： S(C)C1=NC2=C(C(NC(C)=N2)=O)N1
Computed Properties
- Exact Mass: 196.04204
- Monoisotopic Mass: 196.04188206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 95.4?2
Experimental Properties
- PSA: 66.18
- LogP: 0.67650
6H-Purin-6-one,1,9-dihydro-2-methyl-8-(methylthio)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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